SCHEMBL11207110

SCHEMBL11207110

CC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)NC(=O)CCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
GRIA1 P42261 1/20 0.42
FPR2 P25090 1/20 0.42
GNPAT O15228 1/20 0.42
PAM P19021 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
LMNA P02545 1/20 0.39
SOAT1 P35610 1/20 0.39
MME P08473 1/20 0.38
TACR1 P25103 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ACACB O00763 1/20 0.38
CA2 P00918 1/20 0.38
SRC P12931 1/20 0.37
KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10608748 0.86 CTSS (0.59) CTSSCTSKGNPATPAMLMNA
SCHEMBL11209492 0.83 LMNA (0.48) CTSSCTSKLMNATSHRCA2
SCHEMBL11097650 0.80 FPR2 (0.47) CTSSCTSKFPR2
SCHEMBL10892636 0.80 FPR2 (0.47) CTSSCTSKFPR2
SCHEMBL11207112 0.79 GRIA1 (0.59) CTSSCTSKGRIA1GNPATSRC
SCHEMBL28820766 0.77 LMNA (0.59) CTSSCTSKGNPATPAMITGB3
SCHEMBL8407536 0.77 LMNA (0.59) CTSSCTSKGNPATPAMITGB3
SCHEMBL30286967 0.75 TACR1 (0.52) PAMITGB3ITGA2BTACR1ALDH1A1
SCHEMBL8933138 0.75 TACR1 (0.52) PAMITGB3ITGA2BTACR1ALDH1A1
SCHEMBL6572925 0.75 TACR1 (0.52) PAMITGB3ITGA2BTACR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0094844-A2 Drug-carrier conjugates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1983-11-23 EP disclosed